4-cyclopropyl-5-(2-fluorophenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H22FN4OS+ MolecularWeight: 349.446183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4)O

InChI

InChI=1S/C17H21FN4OS/c18-15-6-2-1-5-14(15)16-19-21(17(24)22(16)12-7-8-12)11-20-9-3-4-13(23)10-20/h1-2,5-6,12-13,23H,3-4,7-11H2/p+1/t13-/m1/s1